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-QM methodology on molecule-metal interfaces by simulating surface catalytic reactions and spectroscopy. This project will directly support molecular optoelectronics design and catalyst design research
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simulations 5,6. Both labs teamed up to map the forces involved in spindle positioning in the NSCs, characterising the molecular components, including novel microtubule-associated proteins or post-translational
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4.2.4 — Prior experience of at least 4 years in metal separation and recovery and/or computational simulation (thermodynamic software such as COSMO; molecular dynamics). 4.3 — The exclusion decision in
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atomistic simulation methods, such as molecular dynamics, density functional theory, and machine-learning force fields, to elucidate the deformation mechanisms activated by external stimuli. The candidate
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principles molecular dynamics simulations. You will contribute to the development of novel work flows as well as to the training, testing and application of latest neural network methodologies. Applications
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excels in high-quality research across molecular and cellular biology, genomics, infection biology, disease biology, and systems/synthetic biology. The institute provides state-of-the-art facilities
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validated on a wastewater recycling pilot plant. Suitable methods for process analysis and characterization will be extended and the chemical-physical relationships will be studied using molecular and
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systems, and space applications. We combine theory, physics-based simulations, machine learning, and autonomous workflows to understand and design materials that can perform under conditions where
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metasurfaces that will be op-timized (e.g. metallic layer thickness, all-metal stacks or metal-dielectric) to achieve maximum surface sensitivity for low molecular weight biomarker biorecognition events at low
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apply ultra-fast machine-learning interatomic potentials (UFPs, Xie et al., npj Comput. Mater., 2023, 10.1038/s41524-023-01092-7 ) for long, multi-million-atom molecular dynamics (MD) simulations